Information card for entry 2231608

Structure parameters

• Chemical name: (<i>E</i>)-1-(Pyridin-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
• Formula: C17 H17 N O4
• Calculated formula: C17 H17 N O4
• SMILES: O=C(c1ccccn1)/C=C/c1cc(OC)c(OC)c(OC)c1
• Title of publication: (<i>E</i>)-1-(Pyridin-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
• Authors of publication: Fun, Hoong-Kun; Suwunwong, Thitipone; Chantrapromma, Suchada
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2406 - o2407
• a: 25.0498 ± 0.0005 Å
• b: 3.9799 ± 0.0001 Å
• c: 14.3267 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1428.31 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes